Structure of PDB 7epe Chain A Binding Site BS02

Receptor Information
>7epe Chain A (length=389) Species: 882,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDAWAVGPVTIACLGALATLFVLGVFVRHNATPVVKASGRELCYILLGGV
FLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCYSALLTKTYRIARIFGA
KALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDL
VLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSWEYFC
GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAIPRFI
SPASQVAICLALISGQLLIVVAWLVVEAPGTGLRCNHRDASMLGSLAYNV
LLIALCTLYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSD
YRVQTTTMCVSVSLSGSVVLGCLFAPKLYIILFQPQKNV
Ligand information
Ligand IDJ9R
InChIInChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t18-/m0/s1
InChIKeyPUIAIYDBFPDZPF-SFHVURJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCOC(C4)C(F)(F)F)C(=O)N
CACTVS 3.385Cn1cc(cn1)c2cc(nc3cc(CN4CCO[CH](C4)C(F)(F)F)ccc23)C(N)=O
OpenEye OEToolkits 2.0.7Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N
CACTVS 3.385Cn1cc(cn1)c2cc(nc3cc(CN4CCO[C@@H](C4)C(F)(F)F)ccc23)C(N)=O
FormulaC20 H20 F3 N5 O2
Name4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
ChEMBLCHEMBL3894759
DrugBank
ZINC
PDB chain7epe Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7epe Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L639 G640 F643 D725 S731 L732 N735 W773 F780 Y781 M794 S797
Binding residue
(residue number reindexed from 1)		L76 G77 F80 D289 S295 L296 N299 W337 F344 Y345 M358 S361
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7epe, PDBe:7epe, PDBj:7epe
PDBsum7epe
PubMed34135509
UniProtP00323|FLAV_NITV2 Flavodoxin (Gene Name=DVU_2680);
Q14416|GRM2_HUMAN Metabotropic glutamate receptor 2 (Gene Name=GRM2)

[Back to BioLiP]